Moscatin

Details

• Internal ID: 93fd858c-69b6-452b-a91c-7c8270fb803d
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Phenanthrols
• IUPAC Name: 4-methoxyphenanthrene-2,5-diol
• SMILES (Canonical): COC1=C2C(=CC(=C1)O)C=CC3=C2C(=CC=C3)O
• SMILES (Isomeric): COC1=C2C(=CC(=C1)O)C=CC3=C2C(=CC=C3)O
• InChI: InChI=1S/C15H12O3/c1-18-13-8-11(16)7-10-6-5-9-3-2-4-12(17)14(9)15(10)13/h2-8,16-17H,1H3
• InChI Key: LVOCAIKGDCMNNK-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₃
• Molecular Weight: 240.25 g/mol
• Exact Mass: 240.078644241 g/mol
• Topological Polar Surface Area (TPSA): 49.70 Ų
• XlogP: 3.70

Synonyms

• 108335-06-4
• 4-methoxyphenanthrene-2,5-diol
• Plicatol B
• FUC1N75GST
• 2,5-Phenanthrenediol, 4-methoxy-
• UNII-FUC1N75GST
• CHEMBL448260
• DTXSID90148506
• HY-N5035
• 4-methoxy-2,5-dihydroxyphenanthrene
• AKOS040760573
• 4-METHOXY-2,5-PHENANTHRENEDIOL
• CS-0032147
• FT-0775316
• E88861
• Q18389031

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.61%	91.11%
CHEMBL2535	P11166	Glucose transporter	93.99%	98.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.56%	96.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.51%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.10%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.70%	95.56%
CHEMBL1255126	O15151	Protein Mdm4	88.72%	90.20%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.23%	96.95%
CHEMBL2581	P07339	Cathepsin D	85.50%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	85.08%	91.49%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.86%	99.17%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.14%	99.15%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	81.76%	94.03%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	80.66%	100.00%
CHEMBL4208	P20618	Proteasome component C5	80.66%	90.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.19%	93.99%
CHEMBL1937	Q92769	Histone deacetylase 2	80.01%	94.75%

Plants that contains it

• Bulbophyllum kwangtungense
• Dendrobium chrysanthum
• Dendrobium chryseum
• Dendrobium densiflorum
• Dendrobium loddigesii
• Dendrobium moschatum
• Dendrobium nobile
• Dendrobium plicatile
• Dendrobium rotundatum
• Dendrobium thyrsiflorum
• Dioscorea oppositifolia
• Morus alba

Cross-Links

• PubChem: 194774
• NPASS: NPC38017
• ChEMBL: CHEMBL448260
• LOTUS: LTS0127520
• wikiData: Q18389031